N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

C16H22N2O4S — CID 5312260

IUPACN-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NC1CCCCCC1)OCC(=O)N2
InChIInChI=1S/C16H22N2O4S/c1-11-8-13-14(22-10-16(19)17-13)9-15(11)23(20,21)18-12-6-4-2-3-5-7-12/h8-9,12,18H,2-7,10H2,1H3,(H,17,19)
InChIKeyVOGJAVNMIXXFSR-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.33
Rot. Bonds3

About N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 5312260) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID5312260
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NC1CCCCCC1)OCC(=O)N2
InChIInChI=1S/C16H22N2O4S/c1-11-8-13-14(22-10-16(19)17-13)9-15(11)23(20,21)18-12-6-4-2-3-5-7-12/h8-9,12,18H,2-7,10H2,1H3,(H,17,19)
InChIKeyVOGJAVNMIXXFSR-UHFFFAOYSA-N
XLogP2.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 6624217
6-methyl-3-oxo-N-(oxolan-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide
CID 6624144
6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide
CID 92683774
(3R)-N-cyclopentyl-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 93053120
N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548325
ethyl 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]piperidine-1-carboxylate
CID 3235625
6-bromo-3-oxo-N-pyrrolidin-3-yl-4H-1,4-benzoxazine-7-sulfonamide;hydrochloride
CID 119967195
N-cyclohexyl-N-methyl-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
CID 46288667
N-(2-methylcyclohexyl)-3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide
CID 22551293
N-cyclohexyl-2-[methyl-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]amino]-N-propan-2-ylacetamide
CID 50808581
6-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 55681754
N-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 6624226

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (CID 5312260) is N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is Cc1cc2c(cc1S(=O)(=O)NC1CCCCCC1)OCC(=O)N2.
What is the InChIKey of N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is VOGJAVNMIXXFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-11-8-13-14(22-10-16(19)17-13)9-15(11)23(20,21)18-12-6-4-2-3-5-7-12/h8-9,12,18H,2-7,10H2,1H3,(H,17,19).
What are the key properties of N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 5312260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).